1-ethyl-N-(4-iodo-2-nitrophenyl)piperidin-4-amine

C13H18IN3O2 — CID 60970857

IUPAC1-ethyl-N-(4-iodo-2-nitrophenyl)piperidin-4-amine
SMILESCCN1CCC(Nc2ccc(I)cc2[N+](=O)[O-])CC1
InChIInChI=1S/C13H18IN3O2/c1-2-16-7-5-11(6-8-16)15-12-4-3-10(14)9-13(12)17(18)19/h3-4,9,11,15H,2,5-8H2,1H3
InChIKeyUKXRFZRQACPYFX-UHFFFAOYSA-N
MW375.21 g/mol
LogP3.10
Rot. Bonds4

About 1-ethyl-N-(4-iodo-2-nitrophenyl)piperidin-4-amine

1-ethyl-N-(4-iodo-2-nitrophenyl)piperidin-4-amine (PubChem CID 60970857) has the molecular formula C13H18IN3O2 and a molecular weight of 375.21 g/mol. Its IUPAC name is 1-ethyl-N-(4-iodo-2-nitrophenyl)piperidin-4-amine.

Molecular Properties

Compound Name1-ethyl-N-(4-iodo-2-nitrophenyl)piperidin-4-amine
PubChem CID60970857
Molecular FormulaC13H18IN3O2
Molecular Weight375.21 g/mol
Exact Mass375.04
IUPAC Name1-ethyl-N-(4-iodo-2-nitrophenyl)piperidin-4-amine
SMILESCCN1CCC(Nc2ccc(I)cc2[N+](=O)[O-])CC1
InChIInChI=1S/C13H18IN3O2/c1-2-16-7-5-11(6-8-16)15-12-4-3-10(14)9-13(12)17(18)19/h3-4,9,11,15H,2,5-8H2,1H3
InChIKeyUKXRFZRQACPYFX-UHFFFAOYSA-N
XLogP3.10
TPSA58.41 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.21
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-cyclobutyl-4-iodo-2-nitroaniline
CID 63713876
N-(4-iodo-2-nitrophenyl)-1-methylpyrrolidin-3-amine
CID 66065475
methyl 4-(4-iodo-2-nitroanilino)piperidine-1-carboxylate
CID 133273494
N-(4-iodo-2-nitrophenyl)pyrrolidin-3-amine
CID 66081891
N-(4-bromo-2-nitrophenyl)-1-propylpiperidin-4-amine
CID 43225000
N-(4-chloro-5-fluoro-2-nitrophenyl)-1-ethylpiperidin-4-amine
CID 66077000
1-ethyl-N-(4-iodo-2-methylphenyl)azepan-4-amine
CID 65074024
3-nitro-4-[(1-propylpiperidin-4-yl)amino]benzaldehyde
CID 78911630
N-(4-ethoxy-2-nitrophenyl)-1-methylpiperidin-4-amine
CID 60780977
1-ethyl-N-(4-fluoro-3-nitrophenyl)piperidin-4-amine
CID 43719257
N-cyclopropyl-5-iodo-2-nitroaniline
CID 129089634
N-(3-bromo-4-nitrophenyl)-1-ethylazepan-4-amine
CID 82864140

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-N-(4-iodo-2-nitrophenyl)piperidin-4-amine?
The IUPAC name of 1-ethyl-N-(4-iodo-2-nitrophenyl)piperidin-4-amine (CID 60970857) is 1-ethyl-N-(4-iodo-2-nitrophenyl)piperidin-4-amine.
What is the SMILES notation for 1-ethyl-N-(4-iodo-2-nitrophenyl)piperidin-4-amine?
The canonical SMILES for 1-ethyl-N-(4-iodo-2-nitrophenyl)piperidin-4-amine is CCN1CCC(Nc2ccc(I)cc2[N+](=O)[O-])CC1.
What is the InChIKey of 1-ethyl-N-(4-iodo-2-nitrophenyl)piperidin-4-amine?
The InChIKey is UKXRFZRQACPYFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18IN3O2/c1-2-16-7-5-11(6-8-16)15-12-4-3-10(14)9-13(12)17(18)19/h3-4,9,11,15H,2,5-8H2,1H3.
What are the key properties of 1-ethyl-N-(4-iodo-2-nitrophenyl)piperidin-4-amine?
1-ethyl-N-(4-iodo-2-nitrophenyl)piperidin-4-amine has a molecular weight of 375.21 g/mol, XLogP of 3.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-N-(4-iodo-2-nitrophenyl)piperidin-4-amine is sourced from PubChem (CID 60970857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).